title: Formation of organoxenon dications in the reactions of xenon with dications derived from toluene.
abstract: The bimolecular reactivity of xenon with C(7)H(n)(2+) dications (n=6-8), generated by double ionization of toluene using both electrons and synchrotron radiation, is studied by means of a triple-quadrupole mass spectrometer. Under these experimental conditions, the formation of the organoxenon dications C(7)H(6)Xe(2+) and C(7)H(7)Xe(2+) is observed to occur by termolecular collisional stabilization. Detailed experimental and theoretical studies show that the formation of C(7)H(6)Xe(2+)+H(2) from doubly ionized toluene (C(7)H(8)(2+)) and xenon occurs as a slightly endothermic, direct substitution of dihydrogen by the rare gas with an expansion to a seven-membered ring structure as the crucial step. For the most stable isomer of C(7)H(6)Xe(2+), an adduct between the cycloheptatrienyldiene dication and xenon, the computed binding energy of 1.36 eV reaches the strength of (weak) covalent bonds. Accordingly, electrophiles derived from carbenes might be particularly promising candidates in the search for new rare-gas compounds.
authors.affiliation: Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Prague, Czech Republic.
authors.forename: Emilie-Laure
authors.initials: EL
authors.lastname: Zins
authors.forename: Petr
authors.initials: P
authors.lastname: Milko
authors.forename: Detlef
authors.initials: D
authors.lastname: Schröder
authors.forename: Julia
authors.initials: J
authors.lastname: Aysina
authors.forename: Daniela
authors.initials: D
authors.lastname: Ascenzi
authors.forename: Jan
authors.initials: J
authors.lastname: Zabka
authors.forename: Christian
authors.initials: C
authors.lastname: Alcaraz
authors.forename: Stephen D
authors.initials: SD
authors.lastname: Price
authors.forename: Jana
authors.initials: J
authors.lastname: Roithová